##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section B. It has been peer reviewed under the auspices  #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary may be obtained from        #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.0.1.  #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#           Copyright International Union of Crystallography                 #
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##############################################################################

data_global
_journal_date_recd_electronic     1998-11-10
_journal_date_accepted     1999-04-30
_journal_name_full     'Acta Crystallographica, Section B'
_journal_year     1999
_journal_volume     55
_journal_issue      6
_journal_page_first     1014
_journal_page_last     1029
_journal_paper_category     FA
_publ_contact_author     'R. Dinnebier'
_publ_contact_author_email     robert.dinnebier@uni-bayreuth.de
data_TSi295
_chemical_formula_sum     'C12 H36 Si5'
_chemical_formula_iupac     'Si(Si(CH3)3)4'
_chemical_formula_weight     320.87
_symmetry_cell_setting     cubic
_symmetry_space_group_name_H-M     'Fm-3m'
_symmetry_space_group_name_Hall     '-F 4 2 3'
_cell_length_a     13.52180(10)
_cell_length_b     13.52180(10)
_cell_length_c     13.52180(10)
_cell_angle_alpha     90.0
_cell_angle_beta     90.0
_cell_angle_gamma     90.0
_cell_volume     2472.30(10)
_cell_formula_units_Z     4
_cell_measurement_temperature     295
_exptl_crystal_density_diffrn      .862
_diffrn_radiation_type     synchrotron
_diffrn_radiation_wavelength     1.14946(2)
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_occupancy
    Si .0 .0 .0 .203(13) 1
    Si(1) .028(2) .0860(10)
                          .1540(10)
                                  .203(13) 1
    C(1) .072(3) .130(3) .228(4) .203(13) 1.25(5)
    C(2) .113(3) .168(2) .168(2) .203(13) 1.25(5)
    C(3) .0380(10)
                 .0380(10)
                         .256(2) .203(13) 1.25(5)
data_TSi200
_chemical_formula_sum     'C12 H36 Si5'
_chemical_formula_iupac     'Si(Si(CH3)3)4'
_chemical_formula_weight     320.87
_symmetry_cell_setting     cubic
_symmetry_space_group_name_H-M     'P 21 3'
_symmetry_space_group_name_Hall     'P 2ac 2ab 3'
_cell_length_a     13.17158(6)
_cell_length_b     13.17158(6)
_cell_length_c     13.17158(6)
_cell_angle_alpha     90.0
_cell_angle_beta     90.0
_cell_angle_gamma     90.0
_cell_volume     2285.15(2)
_cell_formula_units_Z     4
_cell_measurement_temperature     200
_exptl_crystal_density_diffrn      .932
_diffrn_radiation_type     synchrotron
_diffrn_radiation_wavelength     1.14946(2)
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_occupancy
    Si(0)  .0048  .0048  .0048  .0279(5) 1.0
    Si(1) .1072(2) .1072(2) .1072(2)  .0279(5) 1.0
    Si(2) .0661(2) -.1602(2) .0078(2)  .0279(5) 1.0
    C(11) .2452(3) .0899(5) .0877(4)  .119(2) 1.5
    C(21) .1134(5) -.1936(5) .1436(4)  .119(2) 1.5
    C(22) -.0361(5) -.2510(4) -.0396(6)  .119(2) 1.5
    C(23) .1905(5) -.1711(6) -.0710(4)  .119(2) 1.5
data_TC295
_chemical_formula_sum     'C13 H36 Si4'
_chemical_formula_iupac     C(Si(CH3)3)4
_chemical_formula_weight     304.79
_symmetry_cell_setting     cubic
_symmetry_space_group_name_H-M     'Fm-3m'
_symmetry_space_group_name_Hall     '-F 4 2 3'
_cell_length_a     12.89020(10)
_cell_length_b     12.89020(10)
_cell_length_c     12.89020(10)
_cell_angle_alpha     90.0
_cell_angle_beta     90.0
_cell_angle_gamma     90.0
_cell_volume     2141.80(10)
_cell_formula_units_Z     4
_cell_measurement_temperature     295
_exptl_crystal_density_diffrn      .945
_diffrn_radiation_type     synchrotron
_diffrn_radiation_wavelength      .82488(2)
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_occupancy
    C(0) 0 0 0 .101(13) 1
    Si(1) .021(3) .073(2) .130(2)  .15(3)   1
    C(1) .067(4) .126(4) .225(5) .101(13) 1.35(8)
    C(2) .114(3) .157(2) .157(2) .101(13) 1.35(8)
    C(3) .039(2) .039(2) .240(3) .101(13) 1.35(8)
data_TC260
_chemical_formula_sum     'C13 H36 Si4'
_chemical_formula_iupac     C(Si(CH3)3)4
_chemical_formula_weight     304.79
_symmetry_cell_setting     cubic
_symmetry_space_group_name_H-M     'P a -3'
_symmetry_space_group_name_Hall     '-P 2ac 2ab 3'
_cell_length_a     12.78760(10)
_cell_length_b     12.78760(10)
_cell_length_c     12.78760(10)
_cell_angle_alpha     90.0
_cell_angle_beta     90.0
_cell_angle_gamma     90.0
_cell_volume     2091.00(10)
_cell_formula_units_Z     4
_cell_measurement_temperature     260
_exptl_crystal_density_diffrn      .968
_diffrn_radiation_type     synchrotron
_diffrn_radiation_wavelength      .82488(2)
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_occupancy
    C(0)  .0  .0  .0  .265(19) 1.0
    Si(1) .0847(3) .0847(3) .0847(3)  .317(8)  .5
    Si(2) .0352(10) -.1415(6) -.0073(17)  .317(8)  .5
    C(11) .2172(7) .0166(13) .1032(14)  .174(3)  .75
    C(21) .113(2)   -.1878(15) .1119(18) 174(3)  .75
    C(22) -.0370(13) -.2667(7) -.0511(11) 174(3)  .75
    C(23) .1467(17) -.1474(14) -.107(2)   174(3)  .75
data_TC150
_chemical_formula_sum     'C13 H36 Si4'
_chemical_formula_iupac     'C(Si(CH3)3)4'
_chemical_formula_weight     304.79
_symmetry_cell_setting     cubic
_symmetry_space_group_name_H-M     'P 21 3'
_symmetry_space_group_name_Hall     'P 2ac 2ab 3'
_cell_length_a     12.609(3)
_cell_length_b     12.609(3)
_cell_length_c     12.609(3)
_cell_angle_alpha     90.0
_cell_angle_beta     90.0
_cell_angle_gamma     90.0
_cell_volume     2005.0(10)
_cell_formula_units_Z     4
_cell_measurement_temperature     150
_exptl_crystal_density_diffrn     1.01
_diffrn_radiation_type     synchrotron
_diffrn_radiation_wavelength      .82488(2)
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_occupancy
    C(0)  .0  .0  .0  .252(19) 1.0
    Si(1) .0881(2) .0881(2) .0881(2)  .0252(9) 1.0
    Si(2) .0548(2) -.1425(2) -.0005(3)  .0252(9) 1.0
    C(11) .2380(3) .0500(7) .0666(7)  .0252(9) 1.5
    C(21) .0966(5) -.1785(3) .1495(4)  .0252(9) 1.5
    C(22) -.0417(5) -.2425(2) -.0548(5)  .0252(9) 1.5
    C(23) .1905(4) -.1418(4) -.0846(5)  .0252(9) 1.5
